Figure 9From: Application of 3D Zernike descriptors to shape-based ligand similarity searchingShown is the case where USR performs better than the 3DZD and SIMCOMP and retrieves more actives in the top 100. The query is indicated at the top of the figure. Active molecules are identified as those with numbers (in bold) which indicate the ranks. The first three molecules in each column are the top ranked molecules and the last two are top ranked active molecules.Back to article page